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BDBM50323438 4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)benzylamino)-4-oxobutanoic acid::CHEMBL1209703

SMILES: CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1

InChI Key: InChIKey=SIXWQDNPVOTEOD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

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KEGG

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair